6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine

C16H27N3 — CID 80786169

IUPAC6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC2CCCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-2-13-17-15-11-8-12-16(19-15)18-14-9-6-4-3-5-7-10-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H2,17,18,19)
InChIKeyJQOVTIYCEUUMSJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.43
Rot. Bonds5

About 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine

6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine (PubChem CID 80786169) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
PubChem CID80786169
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC2CCCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-2-13-17-15-11-8-12-16(19-15)18-14-9-6-4-3-5-7-10-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H2,17,18,19)
InChIKeyJQOVTIYCEUUMSJ-UHFFFAOYSA-N
XLogP4.43
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-propylpyridine-2,6-diamine
CID 107855439
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
2-N-propyl-6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-diamine
CID 80797857
6-N-(2,3-dimethylcyclopentyl)-2-N-propylpyridine-2,6-diamine
CID 80840395
6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789572
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
CID 80782760
6-N-cycloheptylpyridine-2,6-diamine
CID 80647951
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine (CID 80786169) is 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC2CCCCCCC2)n1.
What is the InChIKey of 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is JQOVTIYCEUUMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-13-17-15-11-8-12-16(19-15)18-14-9-6-4-3-5-7-10-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine?
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 261.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80786169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).